Basic information
- CAS
6286-56-2- Standard SMILES
CCOC(=O)C(C#N)=Cc1c[nH]c2ccccc12- InChIKey
XDRLIASMKGKPDX-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(1h-indol-3-yl)prop-2-enoate
- IUPAC
- ethyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Names & synonyms
ethyl 2-cyano-3-(1h-indol-3-yl)prop-2-enoateEthyl trans-alpha-cyano-3-indoleacrylateETHYL (2E)-2-CYANO-3-(1H-INDOL-3-YL)PROP-2-ENOATESCHEMBL5074586SCHEMBL31304644DTXSID1012574851-cyano-1-carboethoxy-2-(3-indolyl)ethyleneETHYL TRANS-ALPHA-CYANO-3-INDOLEACRYLATE;ethyl trans-|A-cyano-3-indoleacrylate;Ethyl(2E)-2-cyano-3-(1H-indolyl-3-yl)acrylate
Database identifiers
- CAS
6286-56-2- PubChem CID
- 95442
- DTXSID
DTXSID101257485
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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